CID 155973846

2-[3-(difluoromethyl)azetidin-1-yl]-2-methylpropanal

Structural Information

Molecular Formula
C8H13F2NO
SMILES
CC(C)(C=O)N1CC(C1)C(F)F
InChI
InChI=1S/C8H13F2NO/c1-8(2,5-12)11-3-6(4-11)7(9)10/h5-7H,3-4H2,1-2H3
InChIKey
MPCBTQQOODZAOF-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)azetidin-1-yl]-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10381 137.7
[M+Na]+ 200.08575 143.9
[M-H]- 176.08925 137.3
[M+NH4]+ 195.13035 150.2
[M+K]+ 216.05969 145.8
[M+H-H2O]+ 160.09379 125.7
[M+HCOO]- 222.09473 153.7
[M+CH3COO]- 236.11038 186.0
[M+Na-2H]- 198.07120 140.9
[M]+ 177.09598 143.5
[M]- 177.09708 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.